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tert-Butyl-4-[phenyl(thiophene-2-carbonyl)amino]piperidine-1-carboxylate
SpectraBase Compound ID 3KFnPHeT7o
InChI InChI=1S/C21H26N2O3S/c1-21(2,3)26-20(25)22-13-11-17(12-14-22)23(16-8-5-4-6-9-16)19(24)18-10-7-15-27-18/h4-10,15,17H,11-14H2,1-3H3
InChIKey TWWWSIQNMPOOLP-UHFFFAOYSA-N
Mol Weight 386.51 g/mol
Molecular Formula C21H26N2O3S
Exact Mass 386.166414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JTj3tI06xU
Name tert-Butyl-4-[phenyl(thiophene-2-carbonyl)amino]piperidine-1-carboxylate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 386.166413876 u
Formula C21H26N2O3S
InChI InChI=1S/C21H26N2O3S/c1-21(2,3)26-20(25)22-13-11-17(12-14-22)23(16-8-5-4-6-9-16)19(24)18-10-7-15-27-18/h4-10,15,17H,11-14H2,1-3H3
InChIKey TWWWSIQNMPOOLP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 386.510 g/mol
Nominal Mass 386 u
Quality 997
Retention Index 2946
SMILES C1(N(C(C=2SC=CC2)=O)C2=CC=CC=C2)CCN(C(OC(C)(C)C)=O)CC1
SPLASH splash10-08i0-8921000000-2c2869ebc118ab9c2925
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Technique GC/MS
Wiley ID DD2024_028977